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| CAS No.: | 503184-35-8 |
|---|---|
| Name: | 2-METHOXY-4-METHYL-PYRIDINE-5-BORONIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H10BNO3 |
| Molecular Weight: | 166.972 |
| Synonyms: | Boronicacid, (6-methoxy-4-methyl-3-pyridinyl)- (9CI);(6-methoxy-4-methyl-3-pyridyl)boronic acid;(6-methoxy-4-methylpyridin-3-yl)boronic acid;boronic acid, B-(6-methoxy-4-methyl-3-pyridinyl)-; |
| Density: | 1.206 g/cm3 |
| Boiling Point: | 339.192 °C at 760 mmHg |
| Flash Point: | 158.938 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 62.58000 |
| LogP: | -0.92160 |
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- Total:37 Page 1 of 1 1
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Specification
The Boronic acid,B-(6-methoxy-4-methyl-3-pyridinyl)-, with the CAS registry number 503184-35-8, has the systematic name of (6-methoxy-4-methyl-3-pyridyl)boronic acid. It belongs to the product categories: Methoxy; Pyridine; Pyridines. And the molecular formula of the chemical is C7H10BNO3.
The characteristics of Boronic acid,B-(6-methoxy-4-methyl-3-pyridinyl)- are as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.132; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 4.174; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 94.206; (8)ACD/KOC (pH 7.4): 11.79; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.58 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 42.075 cm3; (15)Molar Volume: 138.454 cm3; (16)Polarizability: 16.68×10-24cm3; (17)Surface Tension: 47.851 dyne/cm; (18)Density: 1.206 g/cm3; (19)Flash Point: 158.938 °C; (20)Enthalpy of Vaporization: 61.492 kJ/mol; (21)Boiling Point: 339.192 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1cnc(cc1C)OC)(O)O
(2)InChI: InChI=1/C7H10BNO3/c1-5-3-7(12-2)9-4-6(5)8(10)11/h3-4,10-11H,1-2H3
(3)InChIKey: RLWTZURPSVMYGG-UHFFFAOYAI